Geometry & MOs

Info

ID:	296574
PubChem CID:	117584593
Reduced:	FN5C13H16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	244.143645
ΔH_f, kcal/mol:	16.67
Dipole, Da:	3.95
IP(EA), eV:	-8.76(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(2-aminoethyl)-4-N-methyl-4-N-pyridin-3-ylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CN(C1=CC(=CC=C1)F)C2=NC=NC(=C2)NCCN

DOS

IR

Vibrations